Geometry & MOs

Info

ID:	59669
PubChem CID:	24892873
Reduced:	FN2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	17.75
Dipole, Da:	3.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125206
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,5R)-11-bromo-7-phenylpentacyclo[6.3.0.02,6.03,10.05,9]undecane-1,7-diol

Drug info:

PubChemData

Smile

C/[NH+]=C(\C1=CC=CC=C1)/NC2=CC=C(C=C2)F

DOS

IR

Vibrations